8-(Ethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

5426-46-0
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CAS Name

8-(Ethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C9H13N5O2

Molecular Mass

223.23

Cite this Page

8-(Ethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5426-46-0 (retrieved 2024-09-07) (CAS RN: 5426-46-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H13N5O2/c1-4-10-8-11-5-6(12-8)13(2)9(16)14(3)7(5)15/h4H2,1-3H3,(H2,10,11,12)

InChIKey

InChIKey=IAGITRULIIJKKS-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(NCC)N2

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)C)NCC

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-(ethylamino)-3,9-dihydro-1,3-dimethyl-
  • Theophylline, 8-(ethylamino)-
  • 1H-Purine-2,6-dione, 8-(ethylamino)-3,7-dihydro-1,3-dimethyl-
  • 8-(Ethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 8-(Ethylamino)theophylline

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